TITL coc-115925-9326-14 15.0252 57.051984 -3.90427411E+003 0 0 7 (R3) n - 1
REM
REM Run started: Fri, 16 Jul 2021 17:12:24 -0400 in /path/to/airss/run
REM CASTEP 19.11| from code version
REM Functional Perdew Burke Ernzerhof Relativity Koelling-Harmon Dispersion off
REM Cut-off 326.5366 eV Grid scale 1.7500 Gmax 16.2010 1/A FBSC automatic
REM MP grid 6 6 8 Offset 0.000 0.000 0.000 No. kpts 144 Spacing 0.05
REM
REM
REM AIRSS Version 0.9.1 bugfix July 2018 build 013d7b7c2542+ Fri, 06 Jul 2018 19:26:36 +0100
REM compiler GCC version 8.1.0
REM options -cpp -mtune=generic -march=x86-64 -g -O0
REM seed 2110905608 -1442306093 -881999499 -1012627601 1810654603 1573177423 415420943 992014980 -1097894409 -271690017 2009493874 828921687 -938641174 17136737 2104470645 1480348296 661995376 794828070 -919324184 -1315955043 1178656562 -678889301 -1239775160 1581064309 1588452458 -901180187 1892142097 -1557011523 2005296863 1122014488 1369418229 -353007084 -113510961
REM
REM Co 3|2.2|2.0|1.0|8|9|10|40:41:32(qc=5)
REM C 2|1.4|8|9|10|20:21(qc=5)
REM 
CELL 1.54180    5.07144    5.07144    3.89024   49.32125   49.32125   60.00000
LATT -1
SFAC C  Co 
C      1  0.9645707322483  0.5333382153627  0.2782224889463 1.0
C      1  0.2238685634427  0.9645707322483  0.2782224889463 1.0
C      1  0.5333382153627  0.2238685634427  0.2782224889463 1.0
C      1  0.2368754971207  0.2368754971207  0.2893735086378 1.0
Co     2 -0.0582183489562  0.3791915539376  0.8993983748411 1.0
Co     2  0.7796284201775 -0.0582183489562  0.8993983748411 1.0
Co     2  0.3791915539376  0.7796284201775  0.8993983748411 1.0
END
